[Wien] Fwd: "x optic -p" error

[Rodrigo Domínguez García]

the "x optic  -p" script have the following behaviour:

The TiC.symmat_1 and TiC.symmat_2 files was generated by the "optic
optic_1.def" and "optic optic_2.def" scripts inside of the SCRATCH directory
and "opticpara optic.def" script make reference to those files on the
current work's directory

______________________________________________________________________________________________________________

The messages like:

rm: cannot remove `tic.mommat_1':
tail: cannot open `tic.mommat_2' for reading:

are no problem.  case.mommat files do not exist anymore in the def
files, but the opticpara script still wants to concatenate them.

On the other hand, errors like

cat: TiC.symmat_1: No such file or directory

may indicate that something is wrong. These files are necessary.



Am 26.08.2011 10:36, schrieb Hiroki Takahashi:
>* That similar error occurred in my system, too. In my case the error
*>* log indicated that there are no case.mommat_*** files. So, I
*>* created empty case.mommat_*** files. When a similar error occurs
*>* in x joint -p, create empty files(see joint.error) as well. But I
*>* wonder if I can get correct optical property by this procedure.
*>*
*>* Best regards,
*>* Hiroki Takahashi
*>*
*>* -----------------------
*>* Hiroki Takahashi
*>* hiroki_takahashi at mitsui-kinzoku.co.jp
<http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien>
*>* Mitsui Mining&  Smelting Co., Ltd.
*>* -----------------------
*>*
*>*
*>* On Thu, 18 Aug 2011 12:31:56 -0600
*>* Rodrigo Dominguez Garcia<rodrigo.dominguez at cimav.edu.mx
<http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien>>  wrote:
*>*
*>>* I am running wien version WIEN2k_11.1 (Release 14/6/2011) on a
machine  with
*>>* operating system Centos 5.5, fortran compiler ifort 11.1
*>>*
*>>* The SCF cycle ran *correctly*, but when i try to get the optic properties
*>>* using the x optic -p command, throws the following *errors*.
*>>*
*>>* running OPTIC in parallel mode
*>>* [1] 3449
*>>*   OPTIC END
*>>* [1]  + Done                          ( cd $PWD; $t $exe
*>>* ${def}_${loop}.def; rm -f .lock_$lockfile[$p] )>>   ...
*>>* [1] 3455
*>>*   OPTIC END
*>>* [1]  + Done                          ( cd $PWD; $t $exe
*>>* ${def}_${loop}.def; rm -f .lock_$lockfile[$p] )>>   ...
*>>*     Summary of opticpara:
*>>*     localhost	 user=0	 wallclock=20358
*>>* cat: TiC.symmat_1: No such file or directory
*>>* cat: TiC.mommat_1: No such file or directory
*>>* cat: TiC.mat_diag_1: No such file or directory
*>>* cat: TiC.mme_1: No such file or directory
*>>* rm: cannot remove `TiC.symmat_1': No such file or directory
*>>* rm: cannot remove `TiC.mommat_1': No such file or directory
*>>* rm: cannot remove `TiC.mat_diag_1': No such file or directory
*>>* rm: cannot remove `TiC.mme_1': No such file or directory
*>>* tail: cannot open `TiC.symmat_2' for reading: No such file or directory
*>>* tail: cannot open `TiC.mommat_2' for reading: No such file or directory
*>>* tail: cannot open `TiC.mat_diag_2' for reading: No such file or directory
*>>* tail: cannot open `TiC.mme_2' for reading: No such file or directory
*>>* rm: cannot remove `TiC.symmat_2': No such file or directory
*>>* rm: cannot remove `TiC.mommat_2': No such file or directory
*>>* rm: cannot remove `TiC.mat_diag_2': No such file or directory
*>>* rm: cannot remove `TiC.mme_2': No such file or directory
*>>* 0.308u 0.175s 0:02.29 20.5%	0+0k 0+0io 16pf+0w
*>>*
*>>*
*>>*
*>>* The compilation options are shown below
*>>*
*>>* current:FOPT:-FR -mp1 -w -prec_div -pc80 -pad -align -DINTEL_VML -traceback
*>>* -I/opt/intel/mkl/10.2.6.038/include
*>>* current:FPOPT:$(FOPT)
*>>* current:LDFLAGS:$(FOPT) -L/opt/intel/mkl/10.2.6.038/lib/em64t
*>>* current:DPARALLEL:'-DParallel'
*>>* current:R_LIBS:-lmkl_lapack -lmkl_sequential -lmkl_core -lmkl_intel_lp64
*>>* -lguide
*>>* current:RP_LIBS:-lmkl_scalapack_lp64 -lmkl_solver_lp64 -lmkl_blacs_lp64
*>>* -L/usr/local/FFTW/lib -lfftw_mpi -lfftw $(R_LIBS)
*>>* current:MPIRUN:mpirun -np _NP_ -machinefile _HOSTS_ _EXEC_
*>>*
*>>*
*>>* --
*>>* M.I. Rodrigo Dominguez Garcia
*>>* Tecnologias de Informacion y Comunicacion
*>>* C I M A V
*>>* Tel. (614) 439-1154
*>*
*>*
*>*
*>*
*>* _______________________________________________
*>* Wien mailing list
*>* Wien at zeus.theochem.tuwien.ac.at
<http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien>
*>* http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
*
-- 
Peter Blaha
Inst.Materials Chemistry
TU Vienna
Getreidemarkt 9
A-1060 Vienna
Austria
+43-1-5880115671




M.I. Rodrigo Domínguez García
Tecnologías de Información y Comunicación
C I M A V
Tel. (614) 439-1154
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